SCHEMBL7903522

SCHEMBL7903522

CCC(CC)N1CCN(CC)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH3 Q9Y5N1 8/20 0.36
CHRNA7 P36544 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAD52 P43351 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11364448 0.88 ALDH1A1 (0.37) KDM4EALDH1A1TDP1HRH3CHRNA7
SCHEMBL15579128 0.86 ALDH1A1 (0.33) KDM4EALDH1A1TDP1CHRNA7
SCHEMBL23921031 0.86 ALDH1A1 (0.33) KDM4EALDH1A1TDP1HRH3CHRNA7
SCHEMBL11570613 0.86
SCHEMBL8215870 0.86 HRH3 (0.41) KDM4EALDH1A1TDP1HRH3TP53
SCHEMBL23920920 0.81 MEN1 (0.35) KDM4EALDH1A1TDP1
SCHEMBL18500499 0.80 DRD2 (0.39) KDM4EALDH1A1TDP1HRH3TP53
SCHEMBL13632435 0.80 HRH3 (0.35) KDM4EALDH1A1HRH3CHRNA7GAA
SCHEMBL510209 0.80 KDM4E (0.37) KDM4EALDH1A1TDP1HRH3TP53
SCHEMBL23920726 0.80 NPC1 (0.36)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2020-07-09 US disclosed
US-10556891-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2020-02-11 US disclosed
US-9566283-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-8865703-B2 Pyridyltriazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
WO-2013160810-A2 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2013-10-31 WO disclosed
US-20130225562-A1 PYRIDYLTRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
WO-2011117381-A1 B-RAF KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-29 WO disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 WO disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130225562-A1 PYRIDYLTRIAZOLES CCNT1, CCNT2, MKI67 KDM4E 2999/4885ALDH1A1 243/4885TDP1 1656/4885
US-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 KDM4E 2770/4885ALDH1A1 3988/4885TDP1 3378/4885
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF TNNI3, TNNT2, ALDH1A2 KDM4E 3177/4885ALDH1A1 46/4885TDP1 217/4885
US-10556891-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 KDM4E 2770/4885ALDH1A1 3988/4885TDP1 3378/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.